3-[[2-(butylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-2-methyl-benzenecarbonitrile

Systemtic Name: 3-[[2-(butylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-2-methyl-benzenecarbonitrile Openeye Name: 3-[[2-(butylamino)-3,4-dioxo-cyclobuten-1-yl]amino]-2-methyl-benzonitrile CAS Name: 3-[[2-(butylamino)-3,4-dioxo-1-cyclobutenyl]amino]-2-methylbenzonitrile IUPAC Name: 3-[[2-(butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-methylbenzonitrile Traditional Name: 3-[[2-(butylamino)-3,4-diketo-cyclobuten-1-yl]amino]-2-methyl-benzonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)C1=O)NC2=CC=CC(=C2C)C#N

Isomeric SMILES

CCCCNC1=C(C(=O)C1=O)NC2=CC=CC(=C2C)C#N

InChI

InChI=1S/C16H17N3O2/c1-3-4-8-18-13-14(16(21)15(13)20)19-12-7-5-6-11(9-17)10(12)2/h5-7,18-19H,3-4,8H2,1-2H3